4-[2-[4-fluoro-2-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine

C19H25FN4O2 — CID 66898064

IUPAC4-[2-[4-fluoro-2-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine
SMILESFc1ccc(OCCN2CCOCC2)c([C@H]2CCCN2c2ccn[nH]2)c1
InChIInChI=1S/C19H25FN4O2/c20-15-3-4-18(26-13-10-23-8-11-25-12-9-23)16(14-15)17-2-1-7-24(17)19-5-6-21-22-19/h3-6,14,17H,1-2,7-13H2,(H,21,22)/t17-/m1/s1
InChIKeyLCLPJBGHITZAIV-QGZVFWFLSA-N
MW360.43 g/mol
LogP2.60
Rot. Bonds6

About 4-[2-[4-fluoro-2-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine

4-[2-[4-fluoro-2-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine (PubChem CID 66898064) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 4-[2-[4-fluoro-2-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-fluoro-2-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine
PubChem CID66898064
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name4-[2-[4-fluoro-2-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine
SMILESFc1ccc(OCCN2CCOCC2)c([C@H]2CCCN2c2ccn[nH]2)c1
InChIInChI=1S/C19H25FN4O2/c20-15-3-4-18(26-13-10-23-8-11-25-12-9-23)16(14-15)17-2-1-7-24(17)19-5-6-21-22-19/h3-6,14,17H,1-2,7-13H2,(H,21,22)/t17-/m1/s1
InChIKeyLCLPJBGHITZAIV-QGZVFWFLSA-N
XLogP2.60
TPSA53.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-fluoro-2-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-fluoro-2-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine (CID 66898064) is 4-[2-[4-fluoro-2-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-fluoro-2-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-fluoro-2-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine is Fc1ccc(OCCN2CCOCC2)c([C@H]2CCCN2c2ccn[nH]2)c1.
What is the InChIKey of 4-[2-[4-fluoro-2-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine?
The InChIKey is LCLPJBGHITZAIV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25FN4O2/c20-15-3-4-18(26-13-10-23-8-11-25-12-9-23)16(14-15)17-2-1-7-24(17)19-5-6-21-22-19/h3-6,14,17H,1-2,7-13H2,(H,21,22)/t17-/m1/s1.
What are the key properties of 4-[2-[4-fluoro-2-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine?
4-[2-[4-fluoro-2-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine has a molecular weight of 360.43 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-fluoro-2-[(2R)-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 66898064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).